N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide

C8H16BrNO2S — CID 115365114

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CBr)CCCC1
InChIInChI=1S/C8H16BrNO2S/c1-13(11,12)10-7-8(6-9)4-2-3-5-8/h10H,2-7H2,1H3
InChIKeyNMAHPPVJPMNTIZ-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.49
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide

N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide (PubChem CID 115365114) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide
PubChem CID115365114
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CBr)CCCC1
InChIInChI=1S/C8H16BrNO2S/c1-13(11,12)10-7-8(6-9)4-2-3-5-8/h10H,2-7H2,1H3
InChIKeyNMAHPPVJPMNTIZ-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 115365110
N-[(1-methylcyclopentyl)methyl]methanesulfonamide
CID 63822878
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide
CID 82841995
1-bromo-N-[(1-methylcyclopentyl)methyl]methanesulfonamide
CID 83085764
1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide
CID 83086194
1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide
CID 83086909
1-bromo-N-(2,2-dimethylcyclopentyl)methanesulfonamide
CID 83087015
N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521777
N-[(1-ethylcyclopentyl)methyl]methanesulfonamide
CID 103765589
N-[[1-(bromomethyl)cyclohexyl]methyl]methanesulfonamide
CID 103969928
1-bromo-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide
CID 104099382
1-bromo-N-[(1-propylcyclopropyl)methyl]methanesulfonamide
CID 104099415

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide (CID 115365114) is N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide is CS(=O)(=O)NCC1(CBr)CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide?
The InChIKey is NMAHPPVJPMNTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-13(11,12)10-7-8(6-9)4-2-3-5-8/h10H,2-7H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide has a molecular weight of 270.19 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]methanesulfonamide is sourced from PubChem (CID 115365114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).